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CAS 88496-71-3 ETHYL (S)-3-HYDROXYHEXANOATE molecular structure lightbox
CAS RN: 88496-71-3

ETHYL (S)-3-HYDROXYHEXANOATE

  • Product code: SSC-199194
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 88496-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

88496-71-3 / ethyl 3-hydroxyhexanoate

Standard CAS: 88496-71-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
88496-71-3
Multi CAS
Yes
Molecular Formula
C8H16O3
Molecular Weight
160.210000
Exact Mass
160.109944
InChI
InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKey
LYRIITRHDCNUHV-ZETCQYMHSA-N

Physical Properties

Boiling Point
101.00 to 102.00 °C. @ 14.00 mm Hg
Density
0.967-0.976
Physical Description
colourless to pale yellow liquid with fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.16
TPSA
46.53

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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